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Tris[4-(2'-propynyloxy)phenyl] methane

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Tris[4-(2'-propynyloxy)phenyl] methane
SpectraBase Compound ID H0a6bv1pfE8
InChI InChI=1S/C28H22O3/c1-4-19-29-25-13-7-22(8-14-25)28(23-9-15-26(16-10-23)30-20-5-2)24-11-17-27(18-12-24)31-21-6-3/h1-3,7-18,28H,19-21H2
InChIKey WSWAKCDHGIBYOQ-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C28H22O3
Exact Mass 406.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2XRo2OksvRJ
Name Tris[4-(2'-propynyloxy)phenyl] methane
Comments Computed using HOSE algorithm
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Exact Mass 406.156894565 u
Formula C28H22O3
InChI InChI=1S/C28H22O3/c1-4-19-29-25-13-7-22(8-14-25)28(23-9-15-26(16-10-23)30-20-5-2)24-11-17-27(18-12-24)31-21-6-3/h1-3,7-18,28H,19-21H2
InChIKey WSWAKCDHGIBYOQ-UHFFFAOYSA-N
Molecular Weight 406.481 g/mol
SMILES C(#C)COC1=CC=C(C(C2=CC=C(C=C2)OCC#C)C2=CC=C(C=C2)OCC#C)C=C1